[AMBER] NTT=3 or NTT=1

From: Homa Azizian <homa.azizian.anu.edu.au>
Date: Mon, 10 May 2010 11:11:28 +1000

 Hi Amber-users,
 
I have a question about AMBER. I want to do MD for about 10 ns, after 2 ns my system reaches to equilibrate state, during this time I used NTT=3, should I change the Termostate to NTT=1 for the rest of the simulations
Thank you
Regards,
Homa
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Received on Sun May 09 2010 - 18:30:03 PDT